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87594-67-0 | 1H-Pyrazolo[3,4-b]pyrazin-5-amine, N-butyl-1-phenyl-
CAS No: 87594-67-0 Catalog No: AG004IKU MDL No:
Product Description
Catalog Number:
AG004IKU
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazin-5-amine, N-butyl-1-phenyl-
CAS Number:
87594-67-0
Molecular Formula:
C15H17N5
Molecular Weight:
267.3290
IUPAC Name:
N-butyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
InChI:
InChI=1S/C15H17N5/c1-2-3-9-16-14-11-17-15-13(19-14)10-18-20(15)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,19)
InChI Key:
PTTFEDOMAUEXSU-UHFFFAOYSA-N
SMILES:
CCCCNc1cnc2c(n1)cnn2c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.336g/mol
Monoisotopic Mass:
267.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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